Crystallography Open Database

Information card for entry 7202616

7202615 << 7202616 >> 7202617

Preview

Coordinates	7202616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 I2 N2 O2 Zn
Calculated formula	C36 H30 I2 N2 O2 Zn
SMILES	c1cc(C(c2ccccc2)(O)c2ccccc2)cc[n]1[Zn](I)(I)[n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1
Title of publication	Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network
Authors of publication	Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	4
Pages of publication	313
a	21.923 ± 0.001 Å
b	21.923 ± 0.001 Å
c	14.7289 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7079 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2787
Weighted residual factors for all reflections included in the refinement	0.2922
Goodness-of-fit parameter for all reflections included in the refinement	1.403
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180357 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26.	7202616.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202616.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202616.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202616.cif